3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-4,4-dimethylpentanamide

C14H26N4O — CID 104618523

IUPAC3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-4,4-dimethylpentanamide
SMILESCC(C)(C)c1cc(NC(=O)CC(N)C(C)(C)C)n[nH]1
InChIInChI=1S/C14H26N4O/c1-13(2,3)9(15)7-12(19)16-11-8-10(17-18-11)14(4,5)6/h8-9H,7,15H2,1-6H3,(H2,16,17,18,19)
InChIKeyVTWBKGTYGNDMKA-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.41
Rot. Bonds3

About 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-4,4-dimethylpentanamide

3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-4,4-dimethylpentanamide (PubChem CID 104618523) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-4,4-dimethylpentanamide.

Molecular Properties

Compound Name3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-4,4-dimethylpentanamide
PubChem CID104618523
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-4,4-dimethylpentanamide
SMILESCC(C)(C)c1cc(NC(=O)CC(N)C(C)(C)C)n[nH]1
InChIInChI=1S/C14H26N4O/c1-13(2,3)9(15)7-12(19)16-11-8-10(17-18-11)14(4,5)6/h8-9H,7,15H2,1-6H3,(H2,16,17,18,19)
InChIKeyVTWBKGTYGNDMKA-UHFFFAOYSA-N
XLogP2.41
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)butanediamide
CID 112639590
3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methylbutanamide
CID 113433629
N-(5-tert-butyl-1H-pyrazol-3-yl)-2,3-dimethylbutanamide
CID 113235621
3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylbutanamide
CID 104618654
2-(aminomethyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methylbutanamide
CID 113433621
3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylpropanamide
CID 104618640
2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-ethylbutanamide
CID 104618583
2-acetamido-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide
CID 112686897
N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(propan-2-ylamino)propanamide
CID 104618617
N-(5-tert-butyl-1H-pyrazol-3-yl)-2,2-dichloroacetamide
CID 13477003
N-(5-tert-butyl-1H-pyrazol-3-yl)-5-chloropentanamide
CID 104617741
N-(5-tert-butyl-1H-pyrazol-3-yl)hexanamide
CID 47343717

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-4,4-dimethylpentanamide?
The IUPAC name of 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-4,4-dimethylpentanamide (CID 104618523) is 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-4,4-dimethylpentanamide.
What is the SMILES notation for 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-4,4-dimethylpentanamide?
The canonical SMILES for 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-4,4-dimethylpentanamide is CC(C)(C)c1cc(NC(=O)CC(N)C(C)(C)C)n[nH]1.
What is the InChIKey of 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-4,4-dimethylpentanamide?
The InChIKey is VTWBKGTYGNDMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-13(2,3)9(15)7-12(19)16-11-8-10(17-18-11)14(4,5)6/h8-9H,7,15H2,1-6H3,(H2,16,17,18,19).
What are the key properties of 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-4,4-dimethylpentanamide?
3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-4,4-dimethylpentanamide has a molecular weight of 266.39 g/mol, XLogP of 2.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-4,4-dimethylpentanamide is sourced from PubChem (CID 104618523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).